Geometry & MOs

Info

ID:	298476
PubChem CID:	117650113
Reduced:	ClF3N3O3H19C23 (1)
Stoich.:	AB3C3D3E19F23 (1)
Weight, g/mol:	505.159076
ΔH_f, kcal/mol:	-205.1
Dipole, Da:	6.06
IP(EA), eV:	-8.92(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E)-3-(aminomethylidene)-4-methyliminospiro[chromene-2,4'-piperidine]-1'-yl]-[4-chloro-2-(2-thiophen-2-ylethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C3(CCN(CC3)C(=O)C4=CC=CC=C4OC(F)(F)F)OC5=C2C=CC(=C5)Cl

DOS

IR

Vibrations